# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4c9b4cc0-1fdd-48e8-a208-a1aca0223fae/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Al2ZnO4 / Fd-3m (227) / materials id 2908](https://mdr.nims.go.jp/datasets/8c28a5fe-abc6-43fa-8aad-ed032909a76a) ## Fulltext elements: [O, Al, Zn]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 26.98, 65.39]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.472546696572257e-01, 7.355291753827922e-03, 3.073993884630671e-02, 5.669583091731280e+00, 1.828581607798391e+01, 4.931765490829446e+01, 5.619335771412507e+01, 4.404792135869337e+00, 9.611171403237613e+00, 3.148975257106997e-01, -2.818089108903085e+00, 3.130096155976449e+00, -4.340941919322729e+01, 2.243110023477633e+00, 7.957936304904381e+02, 1.178571224800372e+03, 2.370063209703486e+03, -1.069875319531323e+05, 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